[2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate

C13H26O4Si — CID 139776651

IUPAC[2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate
SMILESCC(=O)OCC(CCC[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C13H26O4Si/c1-11(14)16-9-13(10-17-12(2)15)7-6-8-18(3,4)5/h13H,6-10H2,1-5H3
InChIKeyOMLAAVYGEYLMAX-UHFFFAOYSA-N
MW274.43 g/mol
LogP2.85
Rot. Bonds8

About [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate

[2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate (PubChem CID 139776651) has the molecular formula C13H26O4Si and a molecular weight of 274.43 g/mol. Its IUPAC name is [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate.

Molecular Properties

Compound Name[2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate
PubChem CID139776651
Molecular FormulaC13H26O4Si
Molecular Weight274.43 g/mol
Exact Mass274.16
IUPAC Name[2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate
SMILESCC(=O)OCC(CCC[Si](C)(C)C)COC(C)=O
InChIInChI=1S/C13H26O4Si/c1-11(14)16-9-13(10-17-12(2)15)7-6-8-18(3,4)5/h13H,6-10H2,1-5H3
InChIKeyOMLAAVYGEYLMAX-UHFFFAOYSA-N
XLogP2.85
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate?
The IUPAC name of [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate (CID 139776651) is [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate.
What is the SMILES notation for [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate?
The canonical SMILES for [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate is CC(=O)OCC(CCC[Si](C)(C)C)COC(C)=O.
What is the InChIKey of [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate?
The InChIKey is OMLAAVYGEYLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4Si/c1-11(14)16-9-13(10-17-12(2)15)7-6-8-18(3,4)5/h13H,6-10H2,1-5H3.
What are the key properties of [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate?
[2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate has a molecular weight of 274.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(acetyloxymethyl)-5-trimethylsilylpentyl] acetate is sourced from PubChem (CID 139776651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).